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GPCR

NameType-1 angiotensin II receptor
SpeciesCavia porcellus (Guinea pig)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADICFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCVIIWLMAGLASLPAVIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFMFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSTLSTKMSTLSYRPSDNVSSSAKKPVQCFEVE
UniProtQ9WV26
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1671613
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL22945
Molecular formulaC26H22N6O
IUPAC name2,6-dimethyl-3-pyridin-4-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
Molecular weight434.503
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
Synonyms2,6-Dimethyl-3-(4-pyridinyl)-4-[[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]oxy]pyridine
BDBM50047115
2,6-Dimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-[3,4'']bipyridinyl
Inchi KeyNEOQAUFUNSIZIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22N6O/c1-17-15-24(25(18(2)28-17)21-11-13-27-14-12-21)33-16-19-7-9-20(10-8-19)22-5-3-4-6-23(22)26-29-31-32-30-26/h3-15H,16H2,1-2H3,(H,29,30,31,32)
PubChem CID14950506
ChEMBLCHEMBL22945
IUPHARN/A
BindingDB50047115
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5025.0 nMPMID8487261BindingDB,ChEMBL

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